Primitives | Contractions... | ||||
---|---|---|---|---|---|
5.030645 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2.029186 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
0.818503 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.271274 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.124925 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Q. Lu and K.A. Peterson, J. Chem. Phys. 145, 054111 (2016)